N-[(3-propyl-1-thiophen-2-ylcyclobutyl)methyl]cyclopropanamine

C15H23NS — CID 65014158

IUPACN-[(3-propyl-1-thiophen-2-ylcyclobutyl)methyl]cyclopropanamine
SMILESCCCC1CC(CNC2CC2)(c2cccs2)C1
InChIInChI=1S/C15H23NS/c1-2-4-12-9-15(10-12,11-16-13-6-7-13)14-5-3-8-17-14/h3,5,8,12-13,16H,2,4,6-7,9-11H2,1H3
InChIKeyLUZWANCAHZSIOX-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.95
Rot. Bonds6

About N-[(3-propyl-1-thiophen-2-ylcyclobutyl)methyl]cyclopropanamine

N-[(3-propyl-1-thiophen-2-ylcyclobutyl)methyl]cyclopropanamine (PubChem CID 65014158) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-[(3-propyl-1-thiophen-2-ylcyclobutyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-propyl-1-thiophen-2-ylcyclobutyl)methyl]cyclopropanamine
PubChem CID65014158
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-[(3-propyl-1-thiophen-2-ylcyclobutyl)methyl]cyclopropanamine
SMILESCCCC1CC(CNC2CC2)(c2cccs2)C1
InChIInChI=1S/C15H23NS/c1-2-4-12-9-15(10-12,11-16-13-6-7-13)14-5-3-8-17-14/h3,5,8,12-13,16H,2,4,6-7,9-11H2,1H3
InChIKeyLUZWANCAHZSIOX-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-propyl-1-thiophen-2-ylcyclobutyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-propyl-1-thiophen-2-ylcyclobutyl)methyl]cyclopropanamine (CID 65014158) is N-[(3-propyl-1-thiophen-2-ylcyclobutyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-propyl-1-thiophen-2-ylcyclobutyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-propyl-1-thiophen-2-ylcyclobutyl)methyl]cyclopropanamine is CCCC1CC(CNC2CC2)(c2cccs2)C1.
What is the InChIKey of N-[(3-propyl-1-thiophen-2-ylcyclobutyl)methyl]cyclopropanamine?
The InChIKey is LUZWANCAHZSIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-2-4-12-9-15(10-12,11-16-13-6-7-13)14-5-3-8-17-14/h3,5,8,12-13,16H,2,4,6-7,9-11H2,1H3.
What are the key properties of N-[(3-propyl-1-thiophen-2-ylcyclobutyl)methyl]cyclopropanamine?
N-[(3-propyl-1-thiophen-2-ylcyclobutyl)methyl]cyclopropanamine has a molecular weight of 249.42 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propyl-1-thiophen-2-ylcyclobutyl)methyl]cyclopropanamine is sourced from PubChem (CID 65014158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).